Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-fluoro-3-trifluoromethylphenyl ester

InChI

InChI=1S/C15H13F7O4/c1-8(14(17,18)19)25-11(23)6-3-7-12(24)26-10-5-2-4-9(13(10)16)15(20,21)22/h2,4-5,8H,3,6-7H2,1H3

InChI Key

UGQJIHJACJGPBP-UHFFFAOYSA-N

Formula

C15H13F7O4

SMILES

CC(OC(=O)CCCC(=O)Oc1cccc(C(F)(F)F)c1F)C(F)(F)F

Molecular Weight¹

390.25

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7970		Relay (... Calculated Property
ΔfG°	-1659.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-2167.02	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.65	kJ/mol	Joback Calculated Property
ΔvapH°	79.61	kJ/mol	Relay (... Calculated Property
IE	9.31	eV	Relay (... Calculated Property
log10WS	-4.87		Relay (... Calculated Property
logPoct/wat	4.414		Crippen Calculated Property
McVol	225.720	ml/mol	McGowan Calculated Property
Pc	1557.35	kPa	Joback Calculated Property
Inp	[1627.00; 1627.00]
Inp	1627.00		NIST
Inp	1627.00		NIST
Tboil	547.11	K	Relay (... Calculated Property
Tc	739.75	K	Relay (... Calculated Property
Tfus	327.51	K	Relay (... Calculated Property
Vc	0.844	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[653.07; 713.25]	J/mol×K	[719.81; 899.03]
Cp,gas	653.07	J/mol×K	719.81	Joback Calculated Property
Cp,gas	664.99	J/mol×K	749.68	Joback Calculated Property
Cp,gas	676.11	J/mol×K	779.55	Joback Calculated Property
Cp,gas	686.46	J/mol×K	809.42	Joback Calculated Property
Cp,gas	696.09	J/mol×K	839.29	Joback Calculated Property
Cp,gas	705.00	J/mol×K	869.16	Joback Calculated Property
Cp,gas	713.25	J/mol×K	899.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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